 |
| Ligand Name: sPBTZ169 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB767 |
PubChem:
146001133
|
Synonym(s):
- 2-(4-cyclohexylsulfonylpiperazin-1-yl)-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: [O-][N+](=O)c1cc(cc2c1sc(nc2=O)N1CCN(CC1)S(=O)(=O)C1CCCCC1)C(F)(F)F |
| Standard InChI: InChI=1S/C19H21F3N4O5S2/c20-19(21,22)12-10-14-16(15(11-12)26(28)29)32-18(23-17(14)27)24-6-8-25(9-7-24)33(30,31)13-4-2-1-3-5-13/h10-11,13H,1-9H2 |
| Molecular Formula: C19H21F3N4O5S2 |
Mol. Weight: 506.09055 |
logP: 3.368 |
| HBD: 0 | HBA: 8 |
| #Rotatable Bonds: 4 | TPSA: 113.72 |